N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide

C24H23N5O — CID 134806480

IUPACN-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCc3ccccc3)c2)c1
InChIInChI=1S/C24H23N5O/c1-17-27-28-24(29(17)14-12-19-7-4-3-5-8-19)23-16-21(11-13-25-23)20-9-6-10-22(15-20)26-18(2)30/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,30)
InChIKeySWDNTIMYNULZRV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide

N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide (PubChem CID 134806480) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
PubChem CID134806480
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCc3ccccc3)c2)c1
InChIInChI=1S/C24H23N5O/c1-17-27-28-24(29(17)14-12-19-7-4-3-5-8-19)23-16-21(11-13-25-23)20-9-6-10-22(15-20)26-18(2)30/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,30)
InChIKeySWDNTIMYNULZRV-UHFFFAOYSA-N
XLogP4.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide (CID 134806480) is N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The InChIKey is SWDNTIMYNULZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-27-28-24(29(17)14-12-19-7-4-3-5-8-19)23-16-21(11-13-25-23)20-9-6-10-22(15-20)26-18(2)30/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134806480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).